3-cyclohexyl-1,1-bis(2-methoxyethyl)urea

C13H26N2O3 — CID 75401832

IUPAC3-cyclohexyl-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O3/c1-17-10-8-15(9-11-18-2)13(16)14-12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyQCRISPOQULUVER-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.62
Rot. Bonds7

About 3-cyclohexyl-1,1-bis(2-methoxyethyl)urea

3-cyclohexyl-1,1-bis(2-methoxyethyl)urea (PubChem CID 75401832) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-cyclohexyl-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1,1-bis(2-methoxyethyl)urea
PubChem CID75401832
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-cyclohexyl-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O3/c1-17-10-8-15(9-11-18-2)13(16)14-12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyQCRISPOQULUVER-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-cyclohexyl-1,1-bis(2-methoxyethyl)urea (CID 75401832) is 3-cyclohexyl-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-cyclohexyl-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-cyclohexyl-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1,1-bis(2-methoxyethyl)urea?
The InChIKey is QCRISPOQULUVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-17-10-8-15(9-11-18-2)13(16)14-12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of 3-cyclohexyl-1,1-bis(2-methoxyethyl)urea?
3-cyclohexyl-1,1-bis(2-methoxyethyl)urea has a molecular weight of 258.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 75401832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).